1EKI

AVERAGE SOLUTION STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT

Summary for 1EKI

• Entry DOI: 10.2210/pdb1eki/pdb
• Related: 1d83 1ekh
• Descriptor: DNA (5'-D(*TP*TP*GP*GP*CP*CP*AP*A)-3'), 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ... (5 entities in total)
• Functional Keywords: drug bound in the minor groove of dna, dna
• Total number of polymer chains: 2
• Total formula weight: 7350.72

Authors

Gochin, M. (deposition date: 2000-03-08, release date: 2000-03-20, Last modification date: 2024-05-01)

Primary citation

Gochin, M.
A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance.
Structure Fold.Des., 8:441-452, 2000

PubMed Abstract: The drug chromomycin-A(3) binds to the minor groove of DNA and requires a divalent metal ion for complex formation. (1)H, (31)P and (13)C pseudocontact shifts occurring in the presence of a tightly bound divalent cobalt ion in the complex between d(TTGGCCAA)(2) and chromomycin-A(3) have been used to determine the structure of the complex. The accuracy of the structure was verified by validation with nuclear Overhauser enhancements (NOEs) and J-coupling constants not used in the structure calculation.

PubMed: 10801486
DOI: 10.1016/S0969-2126(00)00124-6

Experimental method

SOLUTION NMR